3-(4-fluorophenoxy)-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide

C27H19FN4O3 — CID 122307912

IUPAC3-(4-fluorophenoxy)-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
SMILESO=C(Nc1ccc(Oc2ccc(-n3cccc3)nn2)cc1)c1cccc(Oc2ccc(F)cc2)c1
InChIInChI=1S/C27H19FN4O3/c28-20-6-10-22(11-7-20)34-24-5-3-4-19(18-24)27(33)29-21-8-12-23(13-9-21)35-26-15-14-25(30-31-26)32-16-1-2-17-32/h1-18H,(H,29,33)
InChIKeyZWDYDNPJYOXFNZ-UHFFFAOYSA-N
MW466.47 g/mol
LogP6.24
Rot. Bonds7

About 3-(4-fluorophenoxy)-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide

3-(4-fluorophenoxy)-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide (PubChem CID 122307912) has the molecular formula C27H19FN4O3 and a molecular weight of 466.47 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide.

Molecular Properties

Compound Name3-(4-fluorophenoxy)-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
PubChem CID122307912
Molecular FormulaC27H19FN4O3
Molecular Weight466.47 g/mol
Exact Mass466.14
IUPAC Name3-(4-fluorophenoxy)-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
SMILESO=C(Nc1ccc(Oc2ccc(-n3cccc3)nn2)cc1)c1cccc(Oc2ccc(F)cc2)c1
InChIInChI=1S/C27H19FN4O3/c28-20-6-10-22(11-7-20)34-24-5-3-4-19(18-24)27(33)29-21-8-12-23(13-9-21)35-26-15-14-25(30-31-26)32-16-1-2-17-32/h1-18H,(H,29,33)
InChIKeyZWDYDNPJYOXFNZ-UHFFFAOYSA-N
XLogP6.24
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.47
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-difluoro-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122307665
2-(4-fluorophenyl)-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]acetamide
CID 122307695
4-cyano-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122307861
3,5-dinitro-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122308001
3-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122304627
3-chloro-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122306150
4-pentoxy-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122307900
N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]furan-2-carboxamide
CID 122307682
1-(3,5-dimethoxyphenyl)-3-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]urea
CID 122307713
3-fluoro-N-[4-[3-[4-[(3-fluorobenzoyl)amino]phenoxy]phenoxy]phenyl]benzamide
CID 3108222
4-fluoro-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122305014
N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]cyclopropanecarboxamide
CID 122307702

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide?
The IUPAC name of 3-(4-fluorophenoxy)-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide (CID 122307912) is 3-(4-fluorophenoxy)-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide.
What is the SMILES notation for 3-(4-fluorophenoxy)-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide?
The canonical SMILES for 3-(4-fluorophenoxy)-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide is O=C(Nc1ccc(Oc2ccc(-n3cccc3)nn2)cc1)c1cccc(Oc2ccc(F)cc2)c1.
What is the InChIKey of 3-(4-fluorophenoxy)-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide?
The InChIKey is ZWDYDNPJYOXFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19FN4O3/c28-20-6-10-22(11-7-20)34-24-5-3-4-19(18-24)27(33)29-21-8-12-23(13-9-21)35-26-15-14-25(30-31-26)32-16-1-2-17-32/h1-18H,(H,29,33).
What are the key properties of 3-(4-fluorophenoxy)-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide?
3-(4-fluorophenoxy)-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide has a molecular weight of 466.47 g/mol, XLogP of 6.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide is sourced from PubChem (CID 122307912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).